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Ethyl N-(O-anisyl)formimidate
ScientificNameLabel
Ethyl N-(O-anisyl)formimidate
PHCD compound ID :
4581
Chemical Names :
Ethyl N-(O-anisyl)formimidate
Molecular Formula :
C10H13N1O2
Molecular Weight :
179.094629
More Details :
Names & Synonyms:
ethyl N-(2-methoxyphenyl)methanimidate , N-(2-methoxyphenyl)methanimidic acid ethyl ester , N-(2-methoxyphenyl)formimidic acid ethyl ester
Smiles:
CCO/C=N/c1ccccc1OC
InChi :
InChI=1S/C10H13NO2/c1-3-13-8-11-9-6-4-5-7-10(9)12-2/h4-8H,3H2,1-2H3/b11-8+
InChi Key :
InChIKey=QOTWPVNGSQSOPI-DHZHZOJOSA-N
PubChem ID :
601627
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
3
Ionization potential :
8.798098
Hydrogen bond donor count :
0
Electric dipole moment :
3.182
XLogP :
1.445
VDW volume :
176.291225
Molecular weight :
179.094629
HOMO-LUMO gap :
8.679000
Herb list :
Wild garlic - Allium hirtifolium - موسیر
Refrences & Litretures:
703. Journal:'BioMed Research International' Year:'2013' Volume:'2013' Page:'1' DOI:'10.1155/2013/696835' Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
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